中国科学院大连化学物理研究所机构知识库
Advanced  
DICP OpenIR  > 中国科学院大连化学物理研究所  > 期刊论文
题名: Effect of Pd Doping on Water Dissociation on ZnO(11(2)over-bar0) Surface
作者: Gu Xiangkui1;  Ding Wuchen1;  Huang Chuanqi1;  Li Weixue1
关键词: palladium ;  doping ;  zinc oxide ;  water ;  dissociation ;  density functional theory
刊名: CHINESE JOURNAL OF CATALYSIS
发表日期: 2012-08-01
DOI: 10.3724/SP.J.1088.2012.20526
卷: 33, 期:8, 页:1427-1431
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Applied ;  Chemistry, Physical ;  Engineering, Chemical
研究领域[WOS]: Chemistry ;  Engineering
英文摘要: Water monomer adsorption and dissociation on clean and Pd-doped ZnO(11 (2) over bar0) surface were investigated by using density functional theory calculations. It was found that water monomer on clean ZnO(11 (2) over bar0) prefers the molecular adsorption rather than dissociation. However, its dissociation on Pd-doped ZnO became exothermic with reaction energy of -0.21 eV and kinetically facile with barrier of 0.36 eV, due to enhanced bonding strength of the product OH and H.
关键词[WOS]: TOTAL-ENERGY CALCULATIONS ;  ELASTIC BAND METHOD ;  GAS SHIFT REACTION ;  WAVE BASIS-SET ;  ZNO(10(1)OVER-BAR0) SURFACE ;  SADDLE-POINTS ;  ADSORPTION ;  METALS ;  PATHS
语种: 英语
WOS记录号: WOS:000307624400027
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/138059
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

Files in This Item:

There are no files associated with this item.


作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Liaoning, Peoples R China

Recommended Citation:
Gu Xiangkui,Ding Wuchen,Huang Chuanqi,et al. Effect of Pd Doping on Water Dissociation on ZnO(11(2)over-bar0) Surface[J]. CHINESE JOURNAL OF CATALYSIS,2012,33(8):1427-1431.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Gu Xiangkui]'s Articles
 [Ding Wuchen]'s Articles
 [Huang Chuanqi]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Gu Xiangkui]‘s Articles
 [Ding Wuchen]‘s Articles
 [Huang Chuanqi]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace